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	hartrees
Energy at 0K	-27.341634
Energy at 298.15K	-27.350652
HF Energy	-27.341634
Nuclear repulsion energy	70.469195

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3094	2996	0.00
2	A₁	3068	2971	0.00
3	A₁	1524	1476	0.00
4	A₁	1131	1095	0.00
5	A₁	1008	976	0.00
6	A₁	157	152	0.00
7	A₂	1270	1230	0.00
8	A₂	960	929	0.00
9	B₁	1253	1213	0.00
10	B₁	1173	1136	0.00
11	B₁	963	932	0.00
12	B₂	3146	3046	241.19
13	B₂	3049	2953	10.89
14	B₂	1493	1446	5.08
15	B₂	866	838	2.24
16	B₂	647	627	8.08
17	E	3116	3018	15.59
17	E	3116	3018	15.59
18	E	3055	2958	130.15
18	E	3055	2958	130.15
19	E	1490	1443	2.51
19	E	1490	1443	2.51
20	E	1289	1248	3.75
20	E	1289	1248	3.75
21	E	1238	1199	0.49
21	E	1238	1199	0.49
22	E	914	885	8.33
22	E	914	885	8.33
23	E	748	725	0.96
23	E	748	725	0.96

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.106	0.113
C2	0.000	-1.106	0.113
C3	-1.106	0.000	-0.113
C4	1.106	0.000	-0.113
H5	0.000	1.485	1.150
H6	0.000	1.967	-0.575
H7	0.000	-1.485	1.150
H8	0.000	-1.967	-0.575
H9	-1.485	0.000	-1.150
H10	-1.967	0.000	0.575
H11	1.485	0.000	-1.150
H12	1.967	0.000	0.575

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.2126	1.5809	1.5809	1.1036	1.1021	2.7913	3.1492	2.2420	2.3033	2.2420	2.3033
C2	2.2126		1.5809	1.5809	2.7913	3.1492	1.1036	1.1021	2.2420	2.3033	2.2420	2.3033
C3	1.5809	1.5809		2.2126	2.2420	2.3033	2.2420	2.3033	1.1036	1.1021	2.7913	3.1492
C4	1.5809	1.5809	2.2126		2.2420	2.3033	2.2420	2.3033	2.7913	3.1492	1.1036	1.1021
H5	1.1036	2.7913	2.2420	2.2420		1.7909	2.9710	3.8592	3.1148	2.5308	3.1148	2.5308
H6	1.1021	3.1492	2.3033	2.3033	1.7909		3.8592	3.9334	2.5308	3.0099	2.5308	3.0099
H7	2.7913	1.1036	2.2420	2.2420	2.9710	3.8592		1.7909	3.1148	2.5308	3.1148	2.5308
H8	3.1492	1.1021	2.3033	2.3033	3.8592	3.9334	1.7909		2.5308	3.0099	2.5308	3.0099
H9	2.2420	2.2420	1.1036	2.7913	3.1148	2.5308	3.1148	2.5308		1.7909	2.9710	3.8592
H10	2.3033	2.3033	1.1021	3.1492	2.5308	3.0099	2.5308	3.0099	1.7909		3.8592	3.9334
H11	2.2420	2.2420	2.7913	1.1036	3.1148	2.5308	3.1148	2.5308	2.9710	3.8592		1.7909
H12	2.3033	2.3033	3.1492	1.1021	2.5308	3.0099	2.5308	3.0099	3.8592	3.9334	1.7909

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.821	C1	C3	H9	112.036
C1	C3	H10	117.175	C1	C4	C2	88.821
C1	C4	H11	112.036	C1	C4	H12	117.175
C2	C3	H9	112.036	C2	C3	H10	117.175
C2	C4	H11	112.036	C2	C4	H12	117.175
C3	C1	C4	88.821	C3	C1	H5	112.036
C3	C1	H6	117.175	C3	C2	C4	88.821
C3	C2	H7	112.036	C3	C2	H8	117.175
C4	C1	H5	112.036	C4	C1	H6	117.175
C4	C2	H7	112.036	C4	C2	H8	117.175
H5	C1	H6	108.575	H7	C2	H8	108.575
H9	C3	H10	108.575	H11	C4	H12	108.575

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: B3LYP/CEP-31G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.291
2	C	-0.291
3	C	-0.291
4	C	-0.291
5	H	0.126
6	H	0.165
7	H	0.126
8	H	0.165
9	H	0.126
10	H	0.165
11	H	0.126
12	H	0.165

<r²>	67.193
(<r²>)^1/2	8.197

All results from a given calculation for C4H8 (cyclobutane)

using model chemistry: B3LYP/CEP-31G

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)